(3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one

C10H16O2S — CID 642770

IUPAC(3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one
SMILESC=CC[C@H]1S[C@H](C(C)C)COC1=O
InChIInChI=1S/C10H16O2S/c1-4-5-8-10(11)12-6-9(13-8)7(2)3/h4,7-9H,1,5-6H2,2-3H3/t8-,9+/m1/s1
InChIKeyCIIBWNHINKPXDI-BDAKNGLRSA-N
MW200.30 g/mol
LogP2.25
Rot. Bonds3

About (3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one

(3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one (PubChem CID 642770) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is (3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one.

Molecular Properties

Compound Name(3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one
PubChem CID642770
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name(3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one
SMILESC=CC[C@H]1S[C@H](C(C)C)COC1=O
InChIInChI=1S/C10H16O2S/c1-4-5-8-10(11)12-6-9(13-8)7(2)3/h4,7-9H,1,5-6H2,2-3H3/t8-,9+/m1/s1
InChIKeyCIIBWNHINKPXDI-BDAKNGLRSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one?
The IUPAC name of (3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one (CID 642770) is (3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one.
What is the SMILES notation for (3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one?
The canonical SMILES for (3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one is C=CC[C@H]1S[C@H](C(C)C)COC1=O.
What is the InChIKey of (3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one?
The InChIKey is CIIBWNHINKPXDI-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16O2S/c1-4-5-8-10(11)12-6-9(13-8)7(2)3/h4,7-9H,1,5-6H2,2-3H3/t8-,9+/m1/s1.
What are the key properties of (3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one?
(3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one has a molecular weight of 200.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one is sourced from PubChem (CID 642770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).